phenyl 4-pentyl-4-(5-pentylpyridin-2-yl)cyclohexane-1-carboxylate

Systemtic Name: phenyl 4-pentyl-4-(5-pentylpyridin-2-yl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-pentyl-4-(5-pentyl-2-pyridyl)cyclohexanecarboxylate CAS Name: 4-pentyl-4-(5-pentyl-2-pyridinyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-pentyl-4-(5-pentylpyridin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-amyl-4-(5-amyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C28H39NO2 MolecularWeight: 421.61476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCCC

Isomeric SMILES

CCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCCC

InChI

InChI=1S/C28H39NO2/c1-3-5-8-12-23-15-16-26(29-22-23)28(19-11-6-4-2)20-17-24(18-21-28)27(30)31-25-13-9-7-10-14-25/h7,9-10,13-16,22,24H,3-6,8,11-12,17-21H2,1-2H3